2-methyl-1-oxido-1H-imidazol-1-ium

C4H6N2O — CID 140837271

IUPAC2-methyl-1-oxido-1H-imidazol-1-ium
SMILESCC1=NC=C[NH+]1[O-]
InChIInChI=1S/C4H6N2O/c1-4-5-2-3-6(4)7/h2-3,6H,1H3
InChIKeyYPBPYGACTNGGLC-UHFFFAOYSA-N
MW98.10 g/mol
LogP-0.73
Rot. Bonds

About 2-methyl-1-oxido-1H-imidazol-1-ium

2-methyl-1-oxido-1H-imidazol-1-ium (PubChem CID 140837271) has the molecular formula C4H6N2O and a molecular weight of 98.10 g/mol. Its IUPAC name is 2-methyl-1-oxido-1H-imidazol-1-ium.

Molecular Properties

Compound Name2-methyl-1-oxido-1H-imidazol-1-ium
PubChem CID140837271
Molecular FormulaC4H6N2O
Molecular Weight98.10 g/mol
Exact Mass98.05
IUPAC Name2-methyl-1-oxido-1H-imidazol-1-ium
SMILESCC1=NC=C[NH+]1[O-]
InChIInChI=1S/C4H6N2O/c1-4-5-2-3-6(4)7/h2-3,6H,1H3
InChIKeyYPBPYGACTNGGLC-UHFFFAOYSA-N
XLogP-0.73
TPSA39.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-oxido-1H-imidazol-1-ium?
The IUPAC name of 2-methyl-1-oxido-1H-imidazol-1-ium (CID 140837271) is 2-methyl-1-oxido-1H-imidazol-1-ium.
What is the SMILES notation for 2-methyl-1-oxido-1H-imidazol-1-ium?
The canonical SMILES for 2-methyl-1-oxido-1H-imidazol-1-ium is CC1=NC=C[NH+]1[O-].
What is the InChIKey of 2-methyl-1-oxido-1H-imidazol-1-ium?
The InChIKey is YPBPYGACTNGGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O/c1-4-5-2-3-6(4)7/h2-3,6H,1H3.
What are the key properties of 2-methyl-1-oxido-1H-imidazol-1-ium?
2-methyl-1-oxido-1H-imidazol-1-ium has a molecular weight of 98.10 g/mol, XLogP of -0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-oxido-1H-imidazol-1-ium is sourced from PubChem (CID 140837271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).